2,3-9,8-Bis(1-Fluoro-3,4-Benzo)-14,15-(1-Carboxymethyl-2-Carboxy-3-Methyl-5,6-Indolo)-21-(1-Carboxymethyl-2-Carboxy-3-Methyl-8-Benz(E)Indolyl)-4,7,13,16-Tetraoxa-1,10,21-Triazabicyclo(8.8.5)-Tricosane
[CAS# 113731-92-3]

Identification

• Name: 2,3-9,8-Bis(1-Fluoro-3,4-Benzo)-14,15-(1-Carboxymethyl-2-Carboxy-3-Methyl-5,6-Indolo)-21-(1-Carboxymethyl-2-Carboxy-3-Methyl-8-Benz(E)Indolyl)-4,7,13,16-Tetraoxa-1,10,21-Triazabicyclo(8.8.5)-Tricosane
• Synonyms: Fcryp-2
• Molecular Formula: C₅₀H₄₇F₂N₅O₁₂
• Molecular Weight: 947.94
• CAS Registry Number: 113731-92-3
• SMILES: C8=C(N1CCN4C6=C(OCCOC5=C(N(CC1)CCOC3=CC2=C([N](C(=C2C)C(=O)O)CC(=O)O)C=C3OCC4)C=C(F)C=C5)C=CC(=C6)F)C7=CC=CC=C7C9=C8[N](C(=C9C)C(=O)O)CC(=O)O
• InChI: 1S/C50H47F2N5O12/c1-28-34-23-42-43(25-36(34)56(26-44(58)59)47(28)49(62)63)67-18-16-55-14-12-53(35-24-39-46(33-6-4-3-5-32(33)35)29(2)48(50(64)65)57(39)27-45(60)61)11-13-54(15-17-66-42)37-21-30(51)7-9-40(37)68-19-20-69-41-10-8-31(52)22-38(41)55/h3-10,21-25H,11-20,26-27H2,1-2H3,(H,58,59)(H,60,61)(H,62,63)(H,64,65)
• InChIKey: GHKUZABKBSWOMX-UHFFFAOYSA-N

Properties

• Density: 1.482g/cm³ (Cal.)